2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene

C18H21Br — CID 90322355

IUPAC2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2cc(C(C)C)ccc2C)c(CBr)c1
InChIInChI=1S/C18H21Br/c1-12(2)15-7-6-14(4)18(10-15)17-8-5-13(3)9-16(17)11-19/h5-10,12H,11H2,1-4H3
InChIKeyHSVWWUBUGYOZDD-UHFFFAOYSA-N
MW317.27 g/mol
LogP5.99
Rot. Bonds3

About 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene

2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene (PubChem CID 90322355) has the molecular formula C18H21Br and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
PubChem CID90322355
Molecular FormulaC18H21Br
Molecular Weight317.27 g/mol
Exact Mass316.08
IUPAC Name2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2cc(C(C)C)ccc2C)c(CBr)c1
InChIInChI=1S/C18H21Br/c1-12(2)15-7-6-14(4)18(10-15)17-8-5-13(3)9-16(17)11-19/h5-10,12H,11H2,1-4H3
InChIKeyHSVWWUBUGYOZDD-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
CID 71421135
3-chloro-2-methyl-1-(1-methyl-7-propan-2-ylazulen-4-yl)butan-2-ol
CID 12992072
ethane;3-methyl-6-propan-2-ylphenanthrene
CID 145088146
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione
CID 89104255
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
1-(2,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 118074690
2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
CID 82134354

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene?
The IUPAC name of 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene (CID 90322355) is 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene.
What is the SMILES notation for 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene?
The canonical SMILES for 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene is Cc1ccc(-c2cc(C(C)C)ccc2C)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene?
The InChIKey is HSVWWUBUGYOZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br/c1-12(2)15-7-6-14(4)18(10-15)17-8-5-13(3)9-16(17)11-19/h5-10,12H,11H2,1-4H3.
What are the key properties of 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene?
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene has a molecular weight of 317.27 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene is sourced from PubChem (CID 90322355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).